Try beta.chemspider
1,2-Cyclopentadiene
C1CC=C=C1
InChI=1S/C5H6/c1-2-4-5-3-1/h1,5H,2,4H2
VRNCRGHDRGGBLW-UHFFFAOYSA-N
CSID:11439932, http://www.chemspider.com/Chemical-Structure.11439932.html (accessed 13:13, May 11, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 65.56 (Adapted Stein & Brown method) Melting Pt (deg C): -88.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 170 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 380.9 log Kow used: 2.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2060.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.68E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.882E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.36 (KowWin est) Log Kaw used: 0.436 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.924 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7161 Biowin2 (Non-Linear Model) : 0.8880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0531 (weeks ) Biowin4 (Primary Survey Model) : 3.7524 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5673 Biowin6 (MITI Non-Linear Model): 0.7590 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4490 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6540 BioHC Half-Life (days) : 4.5084 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.23E+004 Pa (167 mm Hg) Log Koa (Koawin est ): 1.924 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E-010 Octanol/air (Koa) model: 2.06E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.87E-009 Mackay model : 1.08E-008 Octanol/air (Koa) model: 1.65E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.4705 E-12 cm3/molecule-sec Half-Life = 0.183 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.195 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.633750 E-17 cm3/molecule-sec Half-Life = 1.808 Days (at 7E11 mol/cm3) Half-Life = 43.399 Hrs Fraction sorbed to airborne particulates (phi): 7.82E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.119 (BCF = 13.14) log Kow used: 2.36 (estimated) Volatilization from Water: Henry LC: 0.0668 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.8368 hours (50.21 min) Half-Life from Model Lake : 77.3 hours (3.221 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.29 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.85 percent Total to Air: 95.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.33 3.99 1000 Water 87.8 360 1000 Soil 5.35 720 1000 Sediment 0.493 3.24e+003 0 Persistence Time: 70.1 hr
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